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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[3-(imidazol-1-ylmethyl)anilino]cinnoline-3-carbonitrile 4-[3-(imidazol-1-ylmethyl)anilin…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.47 10.02 -16.22 1 6 0 79 326.363 4 ↓
Mid Mid (pH 6-8) 3.47 10.53 -41.39 2 6 1 81 327.371 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-(imidazol-1-ylmethyl)anilino]-6-methyl-cinnoline-3-carbonitrile 4-[3-(imidazol-1-ylmethyl)anilin…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.90 10.69 -15.7 1 6 0 79 340.39 4 ↓
Mid Mid (pH 6-8) 3.90 11.21 -40.9 2 6 1 81 341.398 4 ↓

Parameters Provided:

ring.id = 544397
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 544397 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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